CID 67076030

3-(difluoromethyl)-5-methyl-1h-pyrazol-4-amine hydrochloride

Structural Information

Molecular Formula
C5H7F2N3
SMILES
CC1=C(C(=NN1)C(F)F)N
InChI
InChI=1S/C5H7F2N3/c1-2-3(8)4(5(6)7)10-9-2/h5H,8H2,1H3,(H,9,10)
InChIKey
ZZANPIHOSDZFKY-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-5-methyl-1H-pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

147.0608 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.06808 125.7
[M+Na]+ 170.05002 135.2
[M-H]- 146.05352 123.0
[M+NH4]+ 165.09462 145.3
[M+K]+ 186.02396 132.6
[M+H-H2O]+ 130.05806 117.6
[M+HCOO]- 192.05900 145.5
[M+CH3COO]- 206.07465 174.8
[M+Na-2H]- 168.03547 128.7
[M]+ 147.06025 120.1
[M]- 147.06135 120.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe